Glycoside
GD017722
Name:
NoneFormula:
C23H25O6N3Smiles:
Cc1c(C(=O)OC[C@@H]2O[C@H](O)[C@H](O)[C@H]2OCc2ccccc2)nnn1Cc1ccccc1Aglycone:
COC(=O)c1nnn(Cc2ccccc2)c1C.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.47 | Num_heavy_atoms: | 32 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD03803
Formula: C12H13O2N3
Smiles:
COC(=O)c1nnn(Cc2ccccc2)c1C| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 231.26 | Num_heavy_atoms: | 17 |
| TPSA: | 57.01 | NumAromaticRings: | 2 |
